JOB |
Energies
Energy |
Value |
Units |
SCF Done: |
-4315.37777985 -4315.36547658
|
Eh |
Dipole moment (Debye)
Dipole moment
X |
Y |
Z |
Total |
-13.1780 |
5.9920 |
0.5784 |
14.4879 |
Quadrupole moment
XX |
YY |
ZZ |
XY |
XZ |
YZ |
-72.7115 |
-456.0052 |
-286.4522 |
74.7077 |
-113.3774 |
22.6198 |
Final Excitation Energies
no. |
Type |
Energy (eV) |
Wavelength (nm) |
Osc. |
s^2 |
Orbitals |
Final Excitation Energies
no. |
Type |
Energy (eV) |
Wavelength (nm) |
Osc. |
s^2 |
Orbitals |
Electronic coupling for Excitation Energy Transfer
Fragment |
State |
w (eV) |
Fragment |
State |
w (eV) |
Total coupling (eV) |